Vitas-M small molecule compound

ethyl 4-cyano-5-[({[3-cyano-6-(4-fluorophenyl)-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetyl)amino]-3-methylthiophene-2-carboxylate

Catalog ID
STL335726
SMILES CCOC(=O)c1sc(c(c1C)C#N)NC(=O)CSc1nc(cc(c1C#N)C(F)(F)F)c1ccc(cc1)F

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C24H16F4N4O3S2 MW 548.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H16F4N4O3S2/c1-3-35-23(34)20-12(2)15(9-29)22(37-20)32-19(33)11-36-21-16(10-30)17(24(26,27)28)8-18(31-21)13-4-6-14(25)7-5-13/h4-8H,3,11H2,1-2H3,(H,32,33)
InChIKey
GTIPZRWVGJQUFQ-UHFFFAOYSA-N
Synonyms
499208-69-4
499208694
CCOC(=O)C1=C(C(=C(S1)NC(=O)CSC2=C(C(=CC(=N2)C3=CC=C(C=C3)F)C(F)(F)F)C#N)C#N)C
ethyl4cyano5((((3cyano6(4fluorophenyl)4(trifluoromethyl)pyridin2yl)sulfanyl)acetyl)amino)3methylthiophene2carboxylate
ETHYL4CYANO5((2((3CYANO6(4FLUOROPHENYL)4(TRIFLUOROMETHYL)2PYRIDINYL)SULFANYL)ACETYL)AMINO)3METHYL2THIOPHENECARBOXYLATE
ETHYL4CYANO5((2(3CYANO6(4FLUOROPHENYL)4(TRIFLUOROMETHYL)PYRIDIN2YL)SULFANYLACETYL)AMINO)3METHYLTHIOPHENE2CARBOXYLATE
ethyl4cyano5(2((3cyano6(4fluorophenyl)4(trifluoromethyl)pyridin2yl)thio)acetamido)3methylthiophene2carboxylate
InChI=1SC24H16F4N4O3S2c133523(34)2012(2)15(929)22(3720)3219(33)11362116(1030)17(24(2627)28)818(3121)134614(25)7513h48H311H212H3(H3233)
MFCD03303559
ZINC000008451156
ZINC8451156

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.